General Information of the Compound
| Compound ID |
CP0377866
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| Compound Name |
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(2,5-difluoro-phenyl)-urea
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| Structure |
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| Formula |
C35H36ClF2N3O2
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| Molecular Weight |
604.141
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| Canonical SMILES |
OC1(CCN(CCCC(CNC(=O)Nc2cc(F)ccc2F)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C35H36ClF2N3O2/c36-29-14-12-28(13-15-29)35(43)19-22-41(23-20-35)21-7-18-34(26-8-3-1-4-9-26,27-10-5-2-6-11-27)25-39-33(42)40-32-24-30(37)16-17-31(32)38/h1-6,8-17,24,43H,7,18-23,25H2,(H2,39,40,42)
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| InChIKey |
ISVKGDHOGUJFME-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01070, C-C chemokine receptor type 1
Protein ID: PT01215, C-C chemokine receptor type 3